پژوهش های نوین فیزیک

بررسی خواص الکترونی و اپتیکی نانوساختارهای تک لایه مس، نقره و طلا

نویسندگان

جعفر جلیلیان
قاسم رضایی
بهروز واثقی

دانشگاه یاسوج

https://doi.org/10.66224/jmrph.10.1.63
چکیده
با استفاده از محاسبات شبیه سازی کوانتومی، خواص الکترونی و اپتیکی نانوساختارهای تک لایه ترکیبات مس؛ نقره و طلا بررسی شده است. نتایج تحقیقات اخیر نشان داد که این ترکیبات در فاز شش گوشی مرکز پر پایدار بوده و دارای یک ساختار کاملاً مسطح می باشند. این ترکیبات دارای خاصیت فلزی بوده به‌طوری­که اوربیتال های s و d دارای حالت های فلزی در سطح فرمی می­باشند. نتایج محاسبات اپتیکی برای ترکیبات نشان می دهد که گذراهای درون نواری در این ترکیبات دارای سهم عمده­ای تا انرژی­های حدود 3 الکترون ولت می­باشند. فرکانس پلاسمونی ترکیبات در حدود انرژی 4 الکترون ولت است. همچنین محاسبات ظرفیت کوانتومی ترکیبات بیان کننده قابلیت توانایی بالای این ترکیبات در ذخیره سازی انرژی را نشان می دهد به­طوری­که در محدوده ولتاژی سیستم های آبی، چگالی بار ذخیره شده برای ترکیب تک لایه مس در حدود 30 میکروکولن بر سانتی متر مربع به دست آمد. نتایج حاصل از این تحقیق نشان داد تک لایه های مس، طلا و نقره دارای پتانسیل بالایی برای استفاده در حسگرهای تشدید پلاسمونی و همچنین به عنوان بستری مناسب برای ذخیره سازی انرژی قرار گیرند.

کلیدواژه‌ها

ظرفیت کوانتومی
نظریه تابعی چگالی
تشدید پلاسمون سطحی
چگالی حالات الکترونی

عنوان مقاله English

Investigation of electronic and optical properties of copper, silver and gold monolayers

نویسندگان English

Jaafar Jalilian
Ghasem Rezaei
Behrooz Vaseghi
Yasouj University
چکیده English

Using quantum computational calculations, the electronic and optical properties of monolayer nanostructures of copper, silver, and gold compounds were investigated. The results of recent studies revealed that these compounds are stable in a centrosymmetric hexagonal phase and possess a completely planar structure. These materials exhibit metallic characteristics, such that the s and d orbitals contribute metallic states at the Fermi level. Optical calculations further demonstrate that intraband transitions play a dominant role up to energies of about 3 eV. The plasmonic frequency of these compounds appears around 4 eV. Moreover, quantum capacitance calculations indicate their remarkable capability for energy storage; specifically, within the potential window of aqueous systems, the charge storage density for the copper monolayer was obtained to be significant. The findings suggest that copper, silver, and gold monolayers hold great potential for applications in plasmonic resonance sensors as well as promising platforms for energy storage.

کلیدواژه‌ها English

Quantum capacitance
density functional theory
Surface Plasmon Resonance
Electronic Density of States
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